BIAdb Spinosine 3229

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Revision as of 11:40, 20 November 2009

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BIAdb Spinosine 3229
Systematic (IUPAC) name
(13aS)-2,3-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-10,11-diol
Identifiers
CAS number	?
ATC code	?
PubChem	177294
Chemical data
Formula	C19H21NO4
Mol. mass	327.37434
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

Description

Source

Annona spinescens

Function

Antitrypanosomal

General Properties

*Molecular Weight

327.37434

*Exact Mass

327.147058

*Molecular Formula

C₁₉H₂₁NO₄

*IUPAC NAME

(13aS)-2,3-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-10,11-diol

*Canonical Smiles

COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)OC

*Isomeric Smiles

COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)OC

*XLogP

2.6

*Hydrogen bond donor

2

*Hydrogen bond acceptor

5

*Rotational Bond Count

2

*Topological Polar Surface Area

62.2

External Links

• Pubchem

Link to BIAdb Database